Chemical ID: 4461805

CCn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3)COc4ccccc4Cl
Chemical ID:
4461805
Name [?]:
2-[[5-[(2-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3)COc4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26ClN5O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.6626
Area:713.814
Solvation:-5.18274
Coulombic:-43.5583
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:472.004
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.64
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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